[(1R,5S)-5-acetyloxy-3-ethynyl-2-methyl-cyclohex-2-en-1-yl] benzoate

Systemtic Name: [(1R,5S)-5-acetyloxy-3-ethynyl-2-methyl-cyclohex-2-en-1-yl] benzoate Openeye Name: [(1R,5S)-5-acetoxy-3-ethynyl-2-methyl-cyclohex-2-en-1-yl] benzoate CAS Name: benzoic acid [(1R,5S)-5-acetyloxy-3-ethynyl-2-methyl-1-cyclohex-2-enyl] ester IUPAC Name: [(1R,5S)-5-acetyloxy-3-ethynyl-2-methylcyclohex-2-en-1-yl] benzoate Traditional Name: benzoic acid [(1R,5S)-5-acetoxy-3-ethynyl-2-methyl-cyclohex-2-en-1-yl] ester Formula: C18H18O4 MolecularWeight: 298.33312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CC1OC(=O)C2=CC=CC=C2)OC(=O)C)C#C

Isomeric SMILES

CC1=C(C[C@@H](C[C@H]1OC(=O)C2=CC=CC=C2)OC(=O)C)C#C

InChI

InChI=1S/C18H18O4/c1-4-14-10-16(21-13(3)19)11-17(12(14)2)22-18(20)15-8-6-5-7-9-15/h1,5-9,16-17H,10-11H2,2-3H3/t16-,17+/m0/s1